(1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine

C17H27NO — CID 105018311

IUPAC(1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCCC1(C(N)c2ccccc2OC(C)C)CCCC1
InChIInChI=1S/C17H27NO/c1-4-17(11-7-8-12-17)16(18)14-9-5-6-10-15(14)19-13(2)3/h5-6,9-10,13,16H,4,7-8,11-12,18H2,1-3H3
InChIKeyWSDHOLAJVVQDOJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.44
Rot. Bonds5

About (1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine

(1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 105018311) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine
PubChem CID105018311
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCCC1(C(N)c2ccccc2OC(C)C)CCCC1
InChIInChI=1S/C17H27NO/c1-4-17(11-7-8-12-17)16(18)14-9-5-6-10-15(14)19-13(2)3/h5-6,9-10,13,16H,4,7-8,11-12,18H2,1-3H3
InChIKeyWSDHOLAJVVQDOJ-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine
CID 106830418
(1-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105025039
[(1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 106831316
(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 171231533
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 114211571
1-[amino-(2-ethoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059165
7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine
CID 105018412
(2-ethoxyphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079875
(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171211917
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine (CID 105018311) is (1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine is CCC1(C(N)c2ccccc2OC(C)C)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is WSDHOLAJVVQDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-17(11-7-8-12-17)16(18)14-9-5-6-10-15(14)19-13(2)3/h5-6,9-10,13,16H,4,7-8,11-12,18H2,1-3H3.
What are the key properties of (1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine?
(1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105018311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).